Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2nc1ccc(cc1c2)c5ccc(OCc4c(onc4c3c(Cl)cccc3Cl)C(C)C)cc5 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1onc(c1COc2ccc(cc2)c3ccc4[nH]c(cc4c3)C(O)=O)c5c(Cl)cccc5Cl |
SMILES | CACTVS | 3.370 | CC(C)c1onc(c1COc2ccc(cc2)c3ccc4[nH]c(cc4c3)C(O)=O)c5c(Cl)cccc5Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C28H22Cl2N2O4/c1-15(2)27-20(26(32-36-27)25-21(29)4-3-5-22(25)30)14-35-19-9-6-16(7-10-19)17-8-11-23-18(12-17)13-24(31-23)28(33)34/h3-13,15,31H,14H2,1-2H3,(H,33,34) |
InChIKey | InChI | 1.03 | RYEIPXVNZXWZFN-UHFFFAOYSA-N |